2-[(2-nitrophenyl)sulfonylamino]-N-prop-2-enylbenzamide

C16H15N3O5S — CID 7933003

IUPAC2-[(2-nitrophenyl)sulfonylamino]-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1ccccc1NS(=O)(=O)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C16H15N3O5S/c1-2-11-17-16(20)12-7-3-4-8-13(12)18-25(23,24)15-10-6-5-9-14(15)19(21)22/h2-10,18H,1,11H2,(H,17,20)
InChIKeyNSDDZZBUEQQGPS-UHFFFAOYSA-N
MW361.38 g/mol
LogP2.31
Rot. Bonds7

About 2-[(2-nitrophenyl)sulfonylamino]-N-prop-2-enylbenzamide

2-[(2-nitrophenyl)sulfonylamino]-N-prop-2-enylbenzamide (PubChem CID 7933003) has the molecular formula C16H15N3O5S and a molecular weight of 361.38 g/mol. Its IUPAC name is 2-[(2-nitrophenyl)sulfonylamino]-N-prop-2-enylbenzamide.

Molecular Properties

Compound Name2-[(2-nitrophenyl)sulfonylamino]-N-prop-2-enylbenzamide
PubChem CID7933003
Molecular FormulaC16H15N3O5S
Molecular Weight361.38 g/mol
Exact Mass361.07
IUPAC Name2-[(2-nitrophenyl)sulfonylamino]-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1ccccc1NS(=O)(=O)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C16H15N3O5S/c1-2-11-17-16(20)12-7-3-4-8-13(12)18-25(23,24)15-10-6-5-9-14(15)19(21)22/h2-10,18H,1,11H2,(H,17,20)
InChIKeyNSDDZZBUEQQGPS-UHFFFAOYSA-N
XLogP2.31
TPSA118.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.38
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[(2-nitrophenyl)sulfonylamino]-N-prop-2-enylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(4-methoxy-2-nitrophenyl)sulfonylamino]-N-prop-2-enylbenzamide
CID 18148183
2-[(2,3-dimethyl-5-nitrophenyl)sulfonylamino]-N-prop-2-enylbenzamide
CID 40687985
2-[(2-methoxyphenyl)sulfonylamino]-N-prop-2-enylbenzamide
CID 51170213
2-[(2-nitrophenyl)sulfonylamino]benzamide
CID 819659
N-(4-ethoxyphenyl)-2-[(2-nitrophenyl)sulfonylamino]benzamide
CID 26949935
2-nitro-N-(2-nitrophenyl)benzenesulfonamide
CID 2827773
2-[(4-phenoxyphenyl)sulfonylamino]-N-prop-2-enylbenzamide
CID 92683033
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(2-nitrophenyl)sulfonylamino]benzamide
CID 21369135
2-[(3-fluoro-4-methoxyphenyl)sulfonylamino]-N-prop-2-enylbenzamide
CID 39827756
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[(2-nitrophenyl)sulfonylamino]benzamide
CID 21369279
N-(2-formylphenyl)-2-nitrobenzenesulfonamide
CID 86621161
N-naphthalen-1-yl-2-nitrobenzenesulfonamide
CID 681787

Frequently Asked Questions

What is the IUPAC name of 2-[(2-nitrophenyl)sulfonylamino]-N-prop-2-enylbenzamide?
The IUPAC name of 2-[(2-nitrophenyl)sulfonylamino]-N-prop-2-enylbenzamide (CID 7933003) is 2-[(2-nitrophenyl)sulfonylamino]-N-prop-2-enylbenzamide.
What is the SMILES notation for 2-[(2-nitrophenyl)sulfonylamino]-N-prop-2-enylbenzamide?
The canonical SMILES for 2-[(2-nitrophenyl)sulfonylamino]-N-prop-2-enylbenzamide is C=CCNC(=O)c1ccccc1NS(=O)(=O)c1ccccc1[N+](=O)[O-].
What is the InChIKey of 2-[(2-nitrophenyl)sulfonylamino]-N-prop-2-enylbenzamide?
The InChIKey is NSDDZZBUEQQGPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O5S/c1-2-11-17-16(20)12-7-3-4-8-13(12)18-25(23,24)15-10-6-5-9-14(15)19(21)22/h2-10,18H,1,11H2,(H,17,20).
What are the key properties of 2-[(2-nitrophenyl)sulfonylamino]-N-prop-2-enylbenzamide?
2-[(2-nitrophenyl)sulfonylamino]-N-prop-2-enylbenzamide has a molecular weight of 361.38 g/mol, XLogP of 2.31, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-nitrophenyl)sulfonylamino]-N-prop-2-enylbenzamide is sourced from PubChem (CID 7933003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).